SCHEMBL1853475

SCHEMBL1853475

CCCCCCCCCCCCNS(=O)(=O)c1ccc(CN(Cc2ccc(C(=O)O)cc2)C(=O)C(=O)O)s1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.47
KMT2A Q03164 2/20 0.47
SMN1; SMN2 Q16637 2/20 0.47
TSHR P16473 1/20 0.47
HTT P42858 1/20 0.47
RARB P10826 7/20 0.40
ALDH1A1 P00352 2/20 0.40
RARA P10276 1/20 0.40
MAPT P10636 1/20 0.40
MTOR P42345 1/20 0.40
CA12 O43570 2/20 0.39
CA9 Q16790 2/20 0.39
MAPK1 P28482 1/20 0.39
LIMK1 P53667 1/20 0.36
LIMK2 P53671 1/20 0.36
ALDH2 P05091 1/20 0.36
HAO1 Q9UJM8 1/20 0.36
MMP1 P03956 1/20 0.36
MMP2 P08253 1/20 0.36
MMP3 P08254 1/20 0.36

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL1856431 0.91 SMN1; SMN2 (0.50) MEN1KMT2ASMN1; SMN2TSHRHTT
SCHEMBL1855640 0.89 SMN1; SMN2 (0.47) MEN1KMT2ASMN1; SMN2TSHRHTT
SCHEMBL1853649 0.89 ALDH1A1 (0.46) MEN1KMT2ASMN1; SMN2TSHRHTT
SCHEMBL1853297 0.88 SMN1; SMN2 (0.45) MEN1KMT2ASMN1; SMN2TSHRHTT
SCHEMBL1854689 0.87 SMN1; SMN2 (0.44) MEN1KMT2ASMN1; SMN2TSHRHTT
SCHEMBL1852104 0.84 KMT2A (0.50) MEN1KMT2ASMN1; SMN2TSHRHTT
SCHEMBL1853214 0.82 TSHR (0.43) MEN1KMT2ASMN1; SMN2TSHRHTT
SCHEMBL1854263 0.82 SMN1; SMN2 (0.41) MEN1KMT2ASMN1; SMN2TSHRHTT
SCHEMBL4016045 0.81 SMN1; SMN2 (0.42) MEN1KMT2ASMN1; SMN2TSHRHTT
SCHEMBL1854854 0.81 SMN1; SMN2 (0.42) MEN1KMT2ASMN1; SMN2TSHRHTT

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 13 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1470102-B1 SUBSTITUTED METHYLENE AMIDE DERIVATIVES AS MODULATORS OF PROTEIN TYROSINE PHOSPHATASES (PTPS) MERCK SERONO SA (CH) 2011-05-25 EP claimed
US-20090018169-A1 Sulfonamide Derivatives for the Treatment of Bacterial Infections LABORATOIRES SERONO SA (CH) 2009-01-15 US claimed
EP-1732534-B1 USE OF METHYLENE AMIDE DERIVATIVES IN CARDIOVASCULAR DISORDERS SERONO LAB (CH) 2008-07-23 EP claimed
US-20070185118-A1 Use of methylene amide derivatives in cardiovascular disorders APPLIED RESEARCH SYSTEMS ARS HOLDING N.V. (NL) 2007-08-09 US claimed
EP-1732534-A1 USE OF METHYLENE AMIDE DERIVATIVES IN CARDIOVASCULAR DISORDERS Applied Research Systems ARS Holding N.V. (AN) 2006-12-20 EP claimed
WO-2005082347-A1 USE OF METHYLENE AMIDE DERIVATIVES IN CARDIOVASCULAR DISORDERS APLLIED RESEARCH SYSTEMS ARS HOLDING N.V. (AN) 2005-09-09 WO claimed
EP-1470102-B1 SUBSTITUTED METHYLENE AMIDE DERIVATIVES AS MODULATORS OF PROTEIN TYROSINE PHOSPHATASES (PTPS) MERCK SERONO SA (CH) 2011-05-25 EP disclosed
US-7592477-B2 Substituted methylene amide derivatives as modulators of protein tyrosine phosphatases (PTPs) LABORATOIRES SERONO SA (CH) 2009-09-22 US disclosed
US-20090018169-A1 Sulfonamide Derivatives for the Treatment of Bacterial Infections LABORATOIRES SERONO SA (CH) 2009-01-15 US disclosed
US-20090018169-A1 Sulfonamide Derivatives for the Treatment of Bacterial Infections LABORATOIRES SERONO SA (CH) 2009-01-15 US disclosed
US-20090018169-A1 Sulfonamide Derivatives for the Treatment of Bacterial Infections LABORATOIRES SERONO SA (CH) 2009-01-15 US disclosed
US-20070185118-A1 Use of methylene amide derivatives in cardiovascular disorders APPLIED RESEARCH SYSTEMS ARS HOLDING N.V. (NL) 2007-08-09 US disclosed
US-20050124656-A1 Substituted methylene amide derivatives as modulators of protein tyrosine phosphatases(ptps) APPLIED RESEARCH SYSTEMS ARS (NL) 2005-06-09 US disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (3 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20090018169-A1 Sulfonamide Derivatives for the Treatment of Bacterial Infections STS, TST, SULT1A1 MEN1 2947/4885KMT2A 2981/4885SMN1; SMN2 2147/4885
US-20070185118-A1 Use of methylene amide derivatives in cardiovascular disorders TNNI3, TNNT2, ADM2 MEN1 3574/4885KMT2A 1555/4885SMN1; SMN2 2542/4885
US-20050124656-A1 Substituted methylene amide derivatives as modulators of protein tyrosine phosphatases(ptps) PTPRS, PTPA, PTPMT1 MEN1 2496/4885KMT2A 740/4885SMN1; SMN2 4878/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.